› 4oij

X-ray diffraction
2Å resolution

X-ray crystal structure of racemic non-glycosylated chemokine Ser-CCL1

Released:
DOI: 10.2210/pdb4oij/pdb
PDB entry 4oij coloured by chain, front view.
PDB entry 4oij coloured by chain, side view.
PDB entry 4oij coloured by chain, top view.
Source organisms:
Primary publication:
(Quasi-)racemic X-ray structures of glycosylated and non-glycosylated forms of the chemokine Ser-CCL1 prepared by total chemical synthesis.
Okamoto R, Mandal K, Sawaya MR, Kajihara Y, Yeates TO, Kent SB
Angew Chem Int Ed Engl 53 5194-8 (2014)
PMID: 24692304

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149609 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-C motif chemokine 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 74 amino acids
Theoretical weight: 8.59 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P22362 (Residues: 23-96; Coverage: 100%)
Gene names: CCL1, SCYA1
Sequence domains: Small cytokines (intecrine/chemokine), interleukin-8 like
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)
D-Ser-CCL1 Chains: C, D
Molecule details ›
Chains: C, D
Length: 74 amino acids
Theoretical weight: 8.59 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 31 x SO4
19 modified residues:
Ligand DSN 16 x DSN
Ligand DLY 14 x DLY
Ligand MED 4 x MED
Ligand DGN 6 x DGN
Ligand DVA 6 x DVA
Ligand DPR 6 x DPR
Ligand DPN 8 x DPN
Ligand DAR 16 x DAR
Ligand DCY 12 x DCY
Ligand DAL 8 x DAL
Ligand DGL 8 x DGL
Ligand DIL 8 x DIL
Ligand DLE 12 x DLE
Ligand DTY 2 x DTY
Ligand DSG 4 x DSG
Ligand DTH 4 x DTH
Ligand DAS 2 x DAS
Ligand DTR 2 x DTR
Ligand DHI 4 x DHI

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P1
Unit cell:
a: 45.48Å b: 48.86Å c: 51.05Å
α: 109.46° β: 106.84° γ: 109°
R-values:
R R work R free
0.236 0.234 0.283
Expression system: Not provided

Quick links

Citations

5 review citations

Recent extensions to native chemical ligation for the chemical synthesis of peptides and proteins.
Malins et al. (2014)
4 more

3 mentions without citation

The marriage of chemokines and galectins as functional heterodimers.
von Hundelshausen et al. (2021)
2 more